Vitas-M small molecule compound

N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]-3-methylbenzamide

Catalog ID
STK209689
SMILES CCCCc1ccc2c(c1)sc(n2)NC(=S)NC(=O)c1cccc(c1)C

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C20H21N3OS2 MW 383.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N3OS2/c1-3-4-7-14-9-10-16-17(12-14)26-20(21-16)23-19(25)22-18(24)15-8-5-6-13(2)11-15/h5-6,8-12H,3-4,7H2,1-2H3,(H2,21,22,23,24,25)
InChIKey
JOLUAKMWJJBKTJ-UHFFFAOYSA-N
Synonyms

CCCCC1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)C3=CC(=CC=C3)C
InChI=1SC20H21N3OS2c1347149101617(1214)2620(2116)2319(25)2218(24)1585613(2)1115h56812H347H212H3(H22122232425)
MFCD03925244
N((6BUTYL13BENZOTHIAZOL2YL)CARBAMOTHIOYL)3METHYLBENZAMIDE
ZINC000004776875
ZINC04776875
ZINC4776875

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.